1-(2,4-dimethylphenyl)-N-methoxyethenamine

C11H15NO — CID 57012914

IUPAC1-(2,4-dimethylphenyl)-N-methoxyethenamine
SMILESC=C(NOC)c1ccc(C)cc1C
InChIInChI=1S/C11H15NO/c1-8-5-6-11(9(2)7-8)10(3)12-13-4/h5-7,12H,3H2,1-2,4H3
InChIKeyPWOTWPUPKJCTRE-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.43
Rot. Bonds3

About 1-(2,4-dimethylphenyl)-N-methoxyethenamine

1-(2,4-dimethylphenyl)-N-methoxyethenamine (PubChem CID 57012914) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-N-methoxyethenamine.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-N-methoxyethenamine
PubChem CID57012914
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name1-(2,4-dimethylphenyl)-N-methoxyethenamine
SMILESC=C(NOC)c1ccc(C)cc1C
InChIInChI=1S/C11H15NO/c1-8-5-6-11(9(2)7-8)10(3)12-13-4/h5-7,12H,3H2,1-2,4H3
InChIKeyPWOTWPUPKJCTRE-UHFFFAOYSA-N
XLogP2.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(3,4-Dimethylphenyl)cyclopropanamine
CID 62901491
N-methoxy-1-(4-propan-2-ylphenyl)methanamine
CID 54198221
N-(2,3,6-trimethylphenyl)hydroxylamine
CID 134985993
N-[1-(2-fluoro-5-methylphenyl)ethenyl]hydroxylamine
CID 23394254
1-[2-fluoro-4-(trifluoromethyl)phenyl]-N-methoxyethenamine
CID 56974312
N-methoxy-1-[3-(trifluoromethyl)phenyl]ethenamine
CID 56978932
1-[2-fluoro-5-(trifluoromethyl)phenyl]-N-methoxyethenamine
CID 57046147
1-(2,4-difluorophenyl)-N-methoxyethenamine
CID 57050334
1-(3,4-difluorophenyl)-N-methoxyethenamine
CID 57058181
1-(2-fluorophenyl)-N-methoxyethenamine
CID 57082075
1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methoxyethenamine
CID 57099402
1-[3-fluoro-5-(trifluoromethyl)phenyl]-N-methoxyethenamine
CID 57154719

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-N-methoxyethenamine?
The IUPAC name of 1-(2,4-dimethylphenyl)-N-methoxyethenamine (CID 57012914) is 1-(2,4-dimethylphenyl)-N-methoxyethenamine.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-N-methoxyethenamine?
The canonical SMILES for 1-(2,4-dimethylphenyl)-N-methoxyethenamine is C=C(NOC)c1ccc(C)cc1C.
What is the InChIKey of 1-(2,4-dimethylphenyl)-N-methoxyethenamine?
The InChIKey is PWOTWPUPKJCTRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-8-5-6-11(9(2)7-8)10(3)12-13-4/h5-7,12H,3H2,1-2,4H3.
What are the key properties of 1-(2,4-dimethylphenyl)-N-methoxyethenamine?
1-(2,4-dimethylphenyl)-N-methoxyethenamine has a molecular weight of 177.25 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-N-methoxyethenamine is sourced from PubChem (CID 57012914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).